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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Supersonic vortex breakdown over a delta wing in transonic flow

The effects of freestream Mach number and angle of attack on the leading-edge vortex breakdown due to the terminating shock on a 65-degree, sharp-edged, cropped delta wing are investigated computationally, using the time-accurate solution of the laminar unsteady compressible full Navier-Stokes equations with the implicit upwind flux-difference splitting, finite-volume scheme. A fine O-H grid consisting of 125 x 85 x 84 points in the wrap-around, normal, and axial directions, respectively, is used for all the flow cases. Keeping the Reynolds number fixed at 3.23 x 10 exp 6, the Mach number is varied from 0.85 to 0.9 and the angle of attack is varied from 20 to 24 deg. The results show that, at 20-deg angle of attack, the increase of the Mach number from 0.85 to 0.9 results in moving the location of the terminating shock downstream. The results also show that, at 0.85 Mach number, the increase of the angle of attack from 20 to 24 deg results in moving the location of the terminating shock upstream. The results are in good agreement with the experimental data.

Kandil, Hamdy A.↗
NASA NTRS2008

Full-field Strain Methods for Investigating Failure Mechanisms in Triaxial Braided Composites

Composite materials made with triaxial braid architecture and large tow size carbon fibers are beginning to be used in many applications, including composite aircraft and engine structures. Recent advancements in braiding technology have led to commercially viable manufacturing approaches for making large structures with complex shape. Although the large unit cell size of these materials is an advantage for manufacturing efficiency, the fiber architecture presents some challenges for materials characterization, design, and analysis. In some cases, the static load capability of structures made using these materials has been higher than expected based on material strength properties measured using standard coupon tests. A potential problem with using standard tests methods for these materials is that the unit cell size can be an unacceptably large fraction of the specimen dimensions. More detailed investigation of deformation and failure processes in large unit cell size triaxial braid composites is needed to evaluate the applicability of standard test methods for these materials and to develop alternative testing approaches. In recent years, commercial equipment has become available that enables digital image correlation to be used on a more routine basis for investigation of full field 3D deformation in materials and structures. In this paper, some new techniques that have been developed to investigate local deformation and failure using digital image correlation techniques are presented. The methods were used to measure both local and global strains during standard straight-sided coupon tensile tests on composite materials made with 12 and 24 k yarns and a 0/+60/-60 triaxial braid architecture. Local deformation and failure within fiber bundles was observed, and this local failure had a significant effect on global stiffness and strength. The matrix material had a large effect on local damage initiation for the two matrix materials used in this investigation. Premature failure in regions of the unit cell near the edge of the straight-sided specimens was observed for transverse tensile tests in which the braid axial fibers were perpendicular to the specimen axis and the bias fibers terminated on the cut edges in the specimen gage section. This edge effect is one factor that could contribute to a measured strength that is lower than the actual material strength in a structure without edge effects.

Littell, Justin D.↗
DOE OSTI2024

Atomic structure of different surface terminations of polycrystalline ZnPd

The intermetallic compound ZnPd has been found to have desirable characteristics as a catalyst for the steam reforming of methanol. The understanding of the surface structure of ZnPd is important to optimize its catalytic behavior. However, due to the lack of bulk single-crystal samples and the complexity of characterizing surface properties in the available polycrystalline samples using common experimental techniques, all previous surface science studies of this compound have been performed on surface alloy samples formed through thin-film deposition. In this study, we present findings on the chemical and atomic structure of the surfaces of bulk polycrystalline ZnPd studied by a variety of complementary experimental techniques, including scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS), low energy electron microscopy (LEEM), photoemission electron microscopy (PEEM), and microspot low-energy electron diffraction ( μ -LEED). These experimental techniques, combined with density functional theory (DFT)-based thermodynamic calculations of surface free energy and detachment kinetics at the step edges, confirm that surfaces terminated by atomic layers composed of both Zn and Pd atoms are more stable than those terminated by only Zn or Pd layers. DFT calculations also demonstrate that the primary contribution to the tunneling current arises from Pd atoms, in agreement with the STM results. The formation of intermetallics at surfaces may contribute to the superior catalyst properties of ZnPd over Zn or Pd elemental counterparts. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomic Edge-Guided Polyethylene Crystallization on Monolayer Two-Dimensional Materials

In this report we combine an advanced synthesis of two-dimensional (2D) materials (MoSe 2 ) having well-defined atomic edge configurations with ab initio and atomistic molecular dynamics (MD) simulations to study how atomic edges interact with polyethylene (HDPE) chains in a dilute solution assembly process. Our results reveal that Mo-terminated zigzag (Mo-ZZ) edges act as preferred nucleation sites and strongly interact with HDPE chains. The HDPE chains align in parallel with the Mo-ZZ edges and form arrays of lamellae that are perpendicular to the edges. Interestingly, atomic edge configurations are observed to dramatically change such interactions. The crystallization discrepancy at different edges was demonstrated on the same piece of MoSe 2 with different types of edges. The ab initio and MD simulations between n-alkane (n = 5 and 25), a segment of HDPE, and MoSe 2 suggest that the atomic structures of MoSe 2 can affect their interactions with n-alkane chains. Following the Mo-ZZ edge preferred nucleation principle, controlled long-range alignment of HDPE lamellae can be realized by creating multilayer MoSe 2 with parallel atomic steps. This research opens a pathway toward an atomic level understanding of polymer–2D nanomaterial interactions. It also bridges the gap between atomic-level and long-range mesoscopic structures and introduces a novel strategy for long-range structural control.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interaction of the Westerlies with the Tibetan Plateau in Determining the Mei-Yu Termination

This article explores how the termination of the mei-yu is dynamically linked to the westerlies impinging on the Tibetan Plateau. It is found that the mei-yu stage terminates when the maximum upper-tropospheric westerlies shift beyond the northern edge of the plateau, around 40°N. This termination is accompanied by the disappearance of tropospheric northerlies over northeastern China. The link between the transit of the jet axis across the northern edge of the plateau, the disappearance of northerlies, and termination of the mei-yu holds on a range of time scales from interannual through seasonal and pentad. Diagnostic analysis indicates that the weakening of the meridional moisture contrast and meridional wind convergence, mainly resulting from the disappearance of northerlies, causes the demise of the mei-yu front. The authors propose that the westerlies migrating north of the plateau and consequent weakening of the extratropical northerlies triggers the mei-yu termination. Model simulations are employed to test the causality between the jet and the orographic downstream northerlies by repositioning the northern edge of the plateau. As the plateau edge extends northward, orographic forcing on the westerlies strengthens, leading to persistent strong downstream northerlies and a prolonged mei-yu. Idealized simulations with a dry dynamical core further demonstrate the dynamical link between the weakening of orographically forced downstream northerlies with the positioning of the jet from south to north of the plateau. Changes in the magnitude of orographically forced stationary waves are proposed to explain why the downstream northerlies disappear when the jet axis migrates beyond the northern edge of the plateau.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Electrolyte-Induced Restructuring of Acid-Stable Oxygen Evolution Catalysts

Crystalline metal oxide catalysts operating under oxygen evolution reaction (OER) conditions invariably restructure, resulting in active sites with hydroxo/oxo species in an amorphous environment. An increase in the population of terminal hydroxo/oxo species (i.e., edge sites) facilitates proton-coupled electron-transfer (PCET) kinetics for oxygen generation and thus improves catalyst competency. While amorphous films benefit from a greater density of active sites, they suffer from diminished charge transport as compared to that of extended crystalline lattices. Managing this amorphous–crystalline dichotomy is essential when designing OER catalysts, which we highlight with the examination of electrodeposited PbO x materials, which historically are very poor OER catalysts. Along these lines, the presence of phosphate during PbO x electrodeposition truncates the growth of an extended lattice owing to its strong bonding to oxide surfaces to afford an amorphous catalyst film (A-PbO x ) with significant charge-transfer resistance (138 ± 42 Ω) and poor OER kinetics (420 ± 105 mV dec –1 Tafel slope). Conversely, electrodeposition of Pb 2+ in the presence of less coordinating electrolytes such as nitrate affords crystalline β-PbO2 with improved charge-transfer resistance (42.6 ± 1.1 Ω), though still poor OER kinetics (134 ± 36 mV dec –1 Tafel slope). By operating amorphous A-PbOx in less coordinating electrolytes, however, a new partially crystalline material can be generated (μc-PbO x ) with further reduced charge-transfer resistance (33.0 ± 1.4 Ω) and improved OER kinetics (70 ± 15 mV dec –1 Tafel slope). The enhanced OER activity of μc-PbO x is the result of coupling the high edge-site population of an amorphous PbOx phase with crystalline-like charge transport properties. Finally, the ability to use an electrolyte to induce OER activity in an inactive amorphous form of PbO x highlights the benefits of optimizing the amorphous–crystalline phase compositions in the design of active OER catalysts.

catalysts↗
DOE OSTI2024

Self-terminating, heterogeneous solid–electrolyte interphase enables reversible Li–ether cointercalation in graphite anodes

Ether solvents are suitable for formulating solid-electrolyte interphase (SEI)-less ion-solvent cointercalation electrolytes in graphite for Na-ion and K-ion batteries. However, ether-based electrolytes have been historically perceived to cause exfoliation of graphite and cell failure in Li-ion batteries. In this study, we develop strategies to achieve reversible Li–solvent cointercalation in graphite through combining appropriate Li salts and ether solvents. Specifically, we design 1M LiBF 4 1,2-dimethoxyethane (G1), which enables natural graphite to deliver ~91% initial Coulombic efficiency and >88% capacity retention after 400 cycles. We captured the spatial distribution of LiF at various length scales and quantified its heterogeneity. The electrolyte shows self-terminated reactivity on graphite edge planes and results in a grainy, fluorinated pseudo-SEI. The molecular origin of the pseudo-SEI is elucidated by ab initio molecular dynamics (AIMD) simulations. The operando synchrotron analyses further demonstrate the reversible and monotonous phase transformation of cointercalated graphite. Our findings demonstrate the feasibility of Li cointercalation chemistry in graphite for extreme-condition batteries. The work also paves the foundation for understanding and modulating the interphase generated by ether electrolytes in a broad range of electrodes and batteries.

25 ENERGY STORAGE↗
NASA NTRS1992

Lightweight, Flat Battery Case

Materials chosen to increase strength while reducing weight and electrical resistance. End plates of case made of fiber honeycomb panels restrain stacked cells and prevent warping or distorting by internal and external stresses. Positive and negative terminals, located at opposite edges of case, made of solid copper rods instead of usual lead.

Rowlette, John J.↗
NASA NTRS1997

Characterization of Finite Ground Coplanar Waveguide with Narrow Ground Planes

Coplanar waveguide with finite width ground planes is characterized through measurements, conformal mapping, and the Finite Difference Time Domain (FDTD) technique for the purpose of determining the optimum ground plane width. The attenuation and effective permittivity of the lines are related to its geometry. It is found that the characteristics of the Finite Ground Coplanar line (FGC) are not dependent on the ground plane width if it is greater than twice the center conductor width, but less than lambda(sub d)/8. In addition, electromagnetic field plots are presented which show for the first time that electric fields in the plane of the substrate terminate on the outer edge of the ground plane, and that the magnitude of these fields is related to the ground plane width.

Ponchak, George E.↗
NASA NTRS2003

Space Colonization Using Space-Elevators from Phobos

A novel approach is examined for creating an industrial civilization beyond Earth. The approach would take advantage of the unique configuration of Mars and its moon Phobos to make a transportation system capable of raising mass from the surface of Mars to space at a low cost. Mars would be used as the primary location for support personnel and infrastructure. Phobos would be used as a source of raw materials for space-based activity, and as an anchor for tethered carbon-nanotube-based space-elevators. One space-elevator would terminate at the upper edge of Mars' atmosphere. Small craft would be launched from Mars' surface to rendezvous with the moving elevator tip and their payloads detached and raised with solar powered loop elevators to Phobos. Another space-elevator would be extended outward from Phobos to launch craft toward the Earth/Moon system or the asteroid belt. The outward tip would also be used to catch arriving craft. This approach would allow Mars to be colonized, and allow transportation of people and supplies from Mars to support the space industry. In addition, large quantities of material obtained from Phobos could be used to construct space habitats and also supply propellant and material for space industry in the Earth/Moon system as well as around Mars.

Weinstein, Leonard M.↗
DOE OSTI2022

Scanning tunneling microscopy study of the antiferromagnetic topological insulator MnBi 2 Se 4

Topological insulators with intrinsic magnetic ordering such as MnBi 2 Se 4 have been predicted to host many exotic topological phenomena including dissipationless edge states and magnetoelectric effects. Here we use scanning tunneling microscopy to study the surface of MnBi 2 Se 4 epitaxial thin films. Large scale topographic images show steps between van der Waals layers and screw dislocations. While we find the Se-termination predominant on the surface, areas attributed to Bi-termination are found at the edges of small islands in as-grown films, or in larger areas upon removal of surface capping. Here, we compare these terminations through an analysis of step heights, atomic resolution images and tunneling spectroscopy. Tunneling spectra on the Se-termination reveals semiconducting behavior, with an apparent bandgap of >0.18eV that depends on the tip height. In contrast, tunneling spectra of the Bi-termination appears gapless, which could be an indication of dangling bond states on the surface. In both cases, a hexagonal 3.9Å lattice is observed that is consistent with the expected crystal structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

The Atomic Drill Bit: Precision Controlled Atomic Fabrication of 2D Materials

The ability to deterministically fabricate nanoscale architectures with atomic precision is the central goal of nanotechnology, whereby highly localized changes in the atomic structure can be exploited to control device properties at their fundamental physical limit. Here, an automated, feedback-controlled atomic fabrication method is reported and the formation of 1D–2D heterostructures in MoS 2 is demonstrated through selective transformations along specific crystallographic orientations. The atomic-scale probe of an aberration-corrected scanning transmission electron microscope (STEM) is used, and the shape and symmetry of the scan pathway relative to the sample orientation are controlled. The focused and shaped electron beam is used to reliably create Mo 6 S 6 nanowire (MoS-NW) terminated metallic-semiconductor 1D–2D edge structures within a pristine MoS 2 monolayer with atomic precision. From these results, it is found that a triangular beam path aligned along the zig-zag sulfur terminated (ZZS) direction forms stable MoS-NW edge structures with the highest degree of fidelity without resulting in disordering of the surrounding MoS 2 monolayer. Density functional theory (DFT) calculations and ab initio molecular dynamic simulations (AIMD) are used to calculate the energetic barriers for the most stable atomic edge structures and atomic transformation pathways. These discoveries provide an automated method to improve understanding of atomic-scale transformations while opening a pathway toward more precise atomic-scale engineering of materials.

2D materials↗
NASA NTRS1995

Image Processing for Planetary Limb/Terminator Extraction

A novel image segmentation technique for extracting limb and terminator of planetary bodies is proposed. Conventional edge- based histogramming approaches are used to trace object boundaries. The limb and terminator bifurcation is achieved by locating the harmonized segment in the two equations representing the 2-D parameterized boundary curve. Real planetary images from Voyager 1 and 2 served as representative test cases to verify the proposed methodology.

image processing planetary limb planetary terminat↗
NASA NTRS1987

Curved edge modification of compact range reflector

For many years, the compact range has successfully been used to design and evaluate many electromagnetic radiation and scattering systems. However, it has had limited use for large structures because of the large discrepancy between the reflector and target zone sizes. The limitation results from the large edge diffracted signal which emanates from the termination of the reflector. Previous attempts to solve this problem have involved using serrated edges to diffuse the diffracted field. While this reduces the edge diffracted field in the target zone, it is not eliminated. In addition, one has introduced many new corners which also diffract into the target zone. A curved edge modification is presented which reduces the edge diffraction by an order of magnitude or more and in the process does not create new mechanisms which perturb the plane wave in the target zone. Using this curved modification, one is able to design a compact range reflector whose target zone cross section approaches the size of the reflector parabolic surface. This makes the compact range ideal for scale model measurements since larger targets (antennas) can be measured. It also makes it more practical to consider systems which can measure full scale vehicles.

Burnside, Walter D.↗
DOE OSTI2022

Atomically sharp jagged edges of chemical vapor deposition-grown WS 2 for electrocatalysis

Chemical vapor deposition (CVD)-grown 2D transition metal dichalcogenides can adopt faceted edges. To investigate how sharp these sites can be, we utilize aberration-corrected annular dark-field scanning transmission electron microscopy (ADF-STEM) to resolve the atomic structure of two-dimensional (2D) WS 2 domains that show jagged edges. Nanoscale triangular edge structures with S zigzag terminations are observed. Both the peak and valley regions exhibit near-atomic sharpness. The peaks are as sharp as two atoms in width. Highly ordered valley sites display a minimum width of three atoms, and prospective single-atom valleys appear as two-atom-wide sites in the ADF-STEM contrast. Regarding the kinetics, density-functional theory (DFT) calculations indicate that the 2-W-atom peak would not evolve into a single-W-atom peak even though the latter configuration is also stable with a high enough binding energy under the growth conditions. These results help deepen our understanding of the possible structuring at the nanoscale and the atomic-scale limits of peaks and valleys formed via intersection of two zigzag edges. The enriched edge sites lead to higher catalytic activities for the hydrogen evolution reaction (HER).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces

As a general-purpose force field for molecular simulations of layered materials and their fluid interfaces, Clayff continues to see broad usage in atomistic computational modeling for numerous geoscience and materials science applications due to its (1) success in predicting properties of bulk nanoporous materials and their interfaces, (2) transferability to a range of layered and nanoporous materials, and (3) simple functional form which facilitates incorporation into a variety of simulation codes. Here, we review applications of Clayff to model bulk phases and interfaces not included in the original parameter set and recent modifications for modeling surface terminations such as hydroxylated nanoparticle edges. Overall, we conclude with a discussion of expectations for future developments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

The surface and through crack problems in layered orthotropic plates

An analytical method is developed for a relatively accurate calculation of Stress Intensity Factors in a laminated orthotropic plate containing a through or part-through crack. The laminated plate is assumed to be under bending or membrane loading and the mode 1 problem is considered. First three transverse shear deformation plate theories (Mindlin's displacement based first-order theory, Reissner's stress-based first-order theory, and a simple-higher order theory due to Reddy) are reviewed and examined for homogeneous, laminated and heterogeneous orthotropic plates. Based on a general linear laminated plate theory, a method by which the stress intensity factors can be obtained in orthotropic laminated and heterogeneous plates with a through crack is developed. Examples are given for both symmetrically and unsymmetrically laminated plates and the effects of various material properties on the stress intensity factors are studied. In order to implement the line-spring model which is used later to study the surface crack problem, the corresponding plane elasticity problem of a two-bonded orthotropic plated containing a crack perpendicular to the interface is also considered. Three different crack profiles: an internal crack, an edge crack, and a crack terminating at the interface are considered. The effect of the different material combinations, geometries, and material orthotropy on the stress intensity factors and on the power of stress singularity for a crack terminating at the interface is fully examined. The Line Spring model of Rice and Levy is used for the part-through crack problem. The surface crack is assumed to lie in one of the two-layered laminated orthotropic plates due to the limitation of the available plane strain results. All problems considered are of the mixed boundary value type and are reduced to Cauchy type of singular integral equations which are then solved numerically.

Erdogan, Fazil↗
NASA NTRS1994

Interaction of global merged interaction region shock with the heliopause and its relation to the 2- and 3-kHz radio emissions

We use the Voyager 2 plasma and magnetic field data together with a one-fluid magnetohydrodynamics model to study the interactions of the 1991 global merge interaction region (GMIR) shock with the termination shock and the heliopause. The 1991 GMIR is an extraordinarily large global solar wind structure in radial, longitudinal, and latitudinal extents. It has a strong shock at the leading edge. After its penetration through the termination shock, the GMIR shock first propagates through the subsonic solar wind, then interacts with the heliopause. The interaction produces a transmitted shock propagating outward in the interstellar medium, and a reflected shock propagating backward in the subsonic solar wind. We identify the reflected shock and the transmitted shock as the possible source of the radio noise detected at Voyagers (Gurnett, et al., 1993). The plasma frequency behind the reflected and the transmitted shock can be responsible for the 2- and 3-kHz radio emissions, respectively. The two bands of radio noise are emitted from sources on both sides of the heliopause starting at about the same time. If the emissions picked up by Voyager are due to f(sub P) radiation, then the heliopause is located at R is approximately = 130 AU. If the emissions are due to 2f(sub P) radiation, the R is approximately 150 AU. Because the relative speed of the interstellar plasma with respect to the sun appears to be sub-Alfvenic, it is very unlikely there is a fast-mode bow shock of the heliosphere.

Whang, Y. C.↗